From 06e4762c88b81ef8e018cbffa872bddd14b86779 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 30 Jan 2012 14:49:19 +0100 Subject: Added new structure for crossvalidations with backup of all regression datasets --- cv/data/csv/MOU.csv | 403 ++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 403 insertions(+) create mode 100644 cv/data/csv/MOU.csv (limited to 'cv/data/csv/MOU.csv') diff --git a/cv/data/csv/MOU.csv b/cv/data/csv/MOU.csv new file mode 100644 index 0000000..fff9698 --- /dev/null +++ b/cv/data/csv/MOU.csv @@ -0,0 +1,403 @@ +SMILES,pTD50 +ClC1=C(Cl)C=C2C(=C1)OC1=C(O2)C=C(Cl)C(=C1)Cl,9.31469053946421 +O=C1C=C2C3(O)C(C)(C(C(C)C(O)CCC(O)(C)C)CC3)CCC2C2(C)CC(O)C(O)CC12,7.11322861415348 +OC1=CC=C(C(=C(C2=CC=C(O)C=C2)CC)CC)C=C1,6.83652516590471 +O=C1N(C=NC(N)=N1)C1OC(CO)C(O)C1O,6.49901323534295 +CC1=C2C(=C(C)C3=C1C=CC=C3)C1=C(C=C2)C=CC=C1,6.48453878812744 +OC(=O)C(N)CC1=CC=C(N(CCCl)CCCl)C=C1,6.30849284333198 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